(3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol

C7H14N4O — CID 121324208

IUPAC(3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1C[C@@H](O)[C@@H](N=[N+]=[N-])C1
InChIInChI=1S/C7H14N4O/c1-5(2)11-3-6(9-10-8)7(12)4-11/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyQKZWBBQSUDNFEE-NKWVEPMBSA-N
MW170.22 g/mol
LogP0.75
Rot. Bonds2

About (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol

(3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 121324208) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol
PubChem CID121324208
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name(3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1C[C@@H](O)[C@@H](N=[N+]=[N-])C1
InChIInChI=1S/C7H14N4O/c1-5(2)11-3-6(9-10-8)7(12)4-11/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyQKZWBBQSUDNFEE-NKWVEPMBSA-N
XLogP0.75
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol (CID 121324208) is (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1C[C@@H](O)[C@@H](N=[N+]=[N-])C1.
What is the InChIKey of (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is QKZWBBQSUDNFEE-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(2)11-3-6(9-10-8)7(12)4-11/h5-7,12H,3-4H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol?
(3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 170.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-azido-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 121324208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).